Cas no 68144-21-8 (Jujuboside B1)

Jujuboside B1 structure
Jujuboside B1 structure
Product Name:Jujuboside B1
CAS No:68144-21-8
MF:C52H84O21
MW:1045.21077919006
CID:525019
PubChem ID:101709346
Update Time:2025-04-19

Jujuboside B1 Chemical and Physical Properties

Names and Identifiers

    • a-L-Arabinopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-6-deoxy-a-D-galactopyranosyl-(1?2)-O-[O-b-D-xylopyranosyl-(1?2)-b-D-glucopyranosyl-(1?3)]-
    • a-L-Arabinopyranoside, (3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-6-deoxy-a...
    • jujuboside B (Compound I)
    • JUJUBOSIDE B1
    • (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-D-galactopyranosyl-(1-2)-O-[O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)]-alpha-L-arabinopyranoside
    • 1334179-95-1
    • AKOS040760493
    • (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide
    • CS-0018537
    • HY-N2047
    • 68144-21-8
    • Jujuboside B1
    • MDL: MFCD28009139
    • Inchi: 1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43+,44-,45+,46+,48+,49-,50+,51+,52+/m1/s1
    • InChI Key: OAVAUZCEOWCYCC-JHTONXGASA-N
    • SMILES: O1C[C@@]23C[C@@]41[C@H]([C@](C)(C[C@H](/C=C(\C)/C)O4)O)[C@H]2CC[C@@H]1[C@@]2(C)CC[C@@H](C(C)(C)[C@@H]2CC[C@@]31C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O)O

Computed Properties

  • Exact Mass: 1044.55000
  • Monoisotopic Mass: 1044.551
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 73
  • Rotatable Bond Count: 10
  • Complexity: 2010
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 29
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 315A^2
  • XLogP3: 0.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.44
  • Melting Point: 222-225°C
  • PSA: 314.83000
  • LogP: -0.54240

Jujuboside B1 Pricemore >>

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